model_name=EAM_CubicNaturalSpline_ErcolessiAdams_1994_Al__MO_800509458712_002 a1=[1, 0, 0] a2=[0, 1, 0] a3=[0, 0, 1] species=Al theta_min=0.0 theta_max=90.0 max_denominator=15 short_name=fcc cutoff_distance=0.5 x_repeat=1 z_repeat=1 min_cell_height=10.0 offset_top=[0.0, 0.0, 0.0] offset_bottom=[0.0, 0.0, 0.0] a=4.032082748413087 cohesive_energy=3.3602642540094405 mass=26.981538 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.010418262352783807 Energy: 0.010418262358693775 Energy: 0.010418262357713448 Energy: 0.010418262353792142 Energy: 0.010418262357713448 Energy: 0.010418262354268302 Energy: 0.010418262356228952 Energy: 0.010418262355248628 Energy: 0.010418262355248628 Energy: 0.010418262353287975 Energy: 0.010418262354268302 Energy: 0.010418262356228952 Energy: 0.010418262354268302 Energy: 0.010418262355752795 Energy: 0.010418262359197942 Energy: 0.010418262359197942 Energy: 0.010418262354772468 Energy: 0.010418262355248628 Energy: 0.010418262355248628 Energy: 0.010418262355248628 Energy: 0.010418262355248628 Energy: 0.010418262357713448 Energy: 0.010418262354268302 Energy: 0.010418262356228952 Energy: 0.010418262354268302 Energy: 0.010418262354268302 Energy: 0.010418262355248628 Energy: 0.010418262354772468 Energy: 0.01041826235723729 Energy: 0.010418262356228952 minimum gb energy = 0.010418262352783807 eV minimum distance = 2.85101468311407 Angstroms sigma value = 1 ======================================== theta = 7.628149668580709 ======================================== Energy: 0.43417588513733857 Energy: 0.3966612317698269 Energy: 0.39666024567503955 Energy: 0.3900320579391069 Energy: 0.3966610302766187 Energy: 0.39666102518505514 Energy: 0.3903405303017915 Energy: 0.44633588272175945 Energy: 0.4463359081563253 Energy: 0.4034103256726743 Energy: 0.383428772051785 Energy: 0.3834287590350562 Energy: 0.4075426817764442 Energy: 0.39703570333992017 Energy: 0.3970358080871002 Energy: 0.3970358080871002 Energy: 0.40663514286733715 Energy: 0.4066344336402044 Energy: 0.3908357538211637 Energy: 0.3970357347048259 Energy: 0.3970354954240823 Energy: 0.4048448249557989 Energy: 0.43178858056423636 Energy: 0.43178860527706164 Energy: 0.39921733361750394 Energy: 0.4611304034408997 Energy: 0.46113049155641783 Energy: 0.4280021719289925 Energy: 0.4140359928005114 Energy: 0.41403603843779146 minimum gb energy = 0.3834287590350562 eV minimum distance = 2.59149860255297 Angstroms sigma value = 113 ======================================== theta = 8.171233559949753 ======================================== Energy: 0.4472333025826972 Energy: 0.41338737487687366 Energy: 0.4133872751743545